N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxy-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-butoxy-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2S/c1-2-3-8-28-19-6-4-18(5-7-19)20(27)24-22-26-25-21(29-22)23-12-15-9-16(13-23)11-17(10-15)14-23/h4-7,15-17H,2-3,8-14H2,1H3,(H,24,26,27)